6a_ACN_ACN

GENERAL INFO

Title:	6a_ACN_ACN
Browse item:	https://iochem-bd.bsc.es:443/browse/handle/100/199651
Program:	Gaussian 09 AM64L-G09RevD.01
Author:	Laconsay, Croix
Formula:
Calculation type:	Single point Structure
Method(s):	RB3LYP

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity:

JOB |

Energies

Mulliken charges

Dipole moment (Debye)

Dipole moment

X	Y	Z	Total
-7.8281	1.5980	-0.5989	8.0120

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-123.0404	-161.4176	-184.3266	6.4915	-2.3116	5.5156

JOB |

Energies

Mulliken charges

Dipole moment (Debye)

Dipole moment

X	Y	Z	Total
-7.8304	1.6109	-0.6007	8.0170

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-123.0154	-161.4399	-184.3210	6.3827	-2.3549	5.5431

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